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<strong>Structural, stability and electronic properties of OsmCn (m+n≤7) clusters</strong>

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Title Statement <strong>Structural, stability and electronic properties of OsmCn (m+n≤7) clusters</strong>
 
Added Entry - Uncontrolled Name Luo, Min ; Department of Biology and Chemical Engineering, Jiangsu University of Science and Technology
This Project was supported by the National Natural Science Foundation of China (Grant No. 21207051).
 
Uncontrolled Index Term PACS numbers: 36.40.Mr, 36.40.Qv, 36.40.Cg
OsmCn (m+n≤7) clusters; Structures; Stability; Density functional theory; Electronic properties
 
Summary, etc. <strong>The structures, relative stabilities and electronic properties of Os<em><sub>m</sub></em>C<em><sub>n</sub></em> clusters for <em>m+n</em>≤7 have been investigated by the density functional theory. The planar geometries have been preferred for small carbon mixed clusters up to <em>m+n</em>=5, for those with size of <em>m+n</em>≥6, the C-rich clusters are still planar structures, while Os-rich clusters are three-dimensional structures, and the most energetic favourable structures tend to be capped pyramid or irregular prism. The stability analysis indicates that the mixed clusters are more stable than those of the corresponding pure Os<em><sub>n</sub></em> clusters, among which OsC<sub>2</sub>, Os<sub>2</sub>C<sub>2</sub>, Os<sub>4</sub>C<sub>2</sub>, Os<sub>2</sub>C<sub>4</sub> exhibit higher stability than their neighbouring clusters. Os5d and C2p electrons play dominant roles in chemical reaction of mixed clusters.</strong>
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2015-05-01 11:23:24
 
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http://op.niscair.res.in/index.php/IJPAP/article/view/7500
 
Data Source Entry Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 53, ##issue.no## 4 (2015): Indian Journal of Pure & Applied Physics
 
Language Note en
 
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